5-ethyl-2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one

C13H21NO3S — CID 68628593

IUPAC5-ethyl-2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one
SMILESCCC1=C(OCCN2CCOCC2)C(=O)C(C)S1
InChIInChI=1S/C13H21NO3S/c1-3-11-13(12(15)10(2)18-11)17-9-6-14-4-7-16-8-5-14/h10H,3-9H2,1-2H3
InChIKeySDCOHJVRULNCIR-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.66
Rot. Bonds5

About 5-ethyl-2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one

5-ethyl-2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one (PubChem CID 68628593) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 5-ethyl-2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one.

Molecular Properties

Compound Name5-ethyl-2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one
PubChem CID68628593
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name5-ethyl-2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one
SMILESCCC1=C(OCCN2CCOCC2)C(=O)C(C)S1
InChIInChI=1S/C13H21NO3S/c1-3-11-13(12(15)10(2)18-11)17-9-6-14-4-7-16-8-5-14/h10H,3-9H2,1-2H3
InChIKeySDCOHJVRULNCIR-UHFFFAOYSA-N
XLogP1.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one?
The IUPAC name of 5-ethyl-2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one (CID 68628593) is 5-ethyl-2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one.
What is the SMILES notation for 5-ethyl-2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one?
The canonical SMILES for 5-ethyl-2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one is CCC1=C(OCCN2CCOCC2)C(=O)C(C)S1.
What is the InChIKey of 5-ethyl-2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one?
The InChIKey is SDCOHJVRULNCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-3-11-13(12(15)10(2)18-11)17-9-6-14-4-7-16-8-5-14/h10H,3-9H2,1-2H3.
What are the key properties of 5-ethyl-2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one?
5-ethyl-2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one has a molecular weight of 271.38 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-4-(2-morpholin-4-ylethoxy)thiophen-3-one is sourced from PubChem (CID 68628593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).